SCHEMBL27610596

SCHEMBL27610596

COc1cccc(-c2cc[c]o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP4B1 P13584 1/20 0.44
CYP2B6 P20813 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL314750 0.78 EGFR (0.47) ALDH1A1HPGDSMN1; SMN2KDM4ECYP3A4
SCHEMBL196765 0.74 CYP3A4 (0.73) ALDH1A1KDM4ECYP3A4DYRK1ACLK4
SCHEMBL29489425 0.74 CYP3A4 (0.73) ALDH1A1KDM4ECYP3A4DYRK1ACLK4
SCHEMBL511213 0.74 PDE4A (0.59) ALDH1A1HPGDSMN1; SMN2KDM4ECYP3A4
SCHEMBL5460064 0.73 CA12 (0.48) ALDH1A1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL2045217 0.73 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2KDM4ECYP3A4
SCHEMBL5474340 0.73 NR4A1 (0.44) CYP1A1CYP1A2CYP1B1NOTUMSLC9A1
SCHEMBL29628977 0.72 CYP3A4 (0.77) ALDH1A1CYP3A4DYRK1ACLK4CYP1A1
Hydrogen Sulfide SCHEMBL28640169 0.72 CYP3A4 (0.70) ALDH1A1KDM4ECYP3A4DYRK1ACLK4
Ammonia Solution, Strong SCHEMBL27960505 0.72 CYP3A4 (0.70) ALDH1A1KDM4ECYP3A4DYRK1ACLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed